SCHEMBL9302682

SCHEMBL9302682

OC1(c2ccc(Cl)cc2)CCN(CC2CO2)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.66
OPRM1 P35372 2/20 0.66
CCR3 P51677 2/20 0.57
SIGMAR1 Q99720 4/20 0.54
DRD2 P14416 2/20 0.50
ADRA1A P35348 1/20 0.50
TMEM97 Q5BJF2 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14307260 0.79 CCR3 (0.69) OPRL1OPRM1CCR3DRD2ADRA1A
SCHEMBL9676304 0.78 SIGMAR1 (0.85) SIGMAR1
SCHEMBL9533670 0.77 DRD2 (0.60) OPRL1OPRM1CCR3DRD2ADRA1A
SCHEMBL10287975 0.76 CCR3 (0.65) OPRL1OPRM1CCR3DRD2ADRA1A
SCHEMBL14282299 0.75 DRD2 (0.71) OPRL1OPRM1CCR3DRD2ADRA1A
SCHEMBL10287607 0.75 OPRM1 (0.63) OPRL1OPRM1CCR3DRD2ADRA1A
SCHEMBL9676151 0.75 SIGMAR1 (0.77) SIGMAR1
SCHEMBL14282287 0.74 CCR3 (0.61) OPRL1OPRM1CCR3SIGMAR1DRD2
SCHEMBL9677462 0.73 SIGMAR1 (0.77) SIGMAR1
Hydrochloric Acid SCHEMBL9455133 0.73 SIGMAR1 (0.58) OPRL1OPRM1CCR3SIGMAR1DRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0541802-B1 DIPHENYLMETHYLPIPERAZINE DERIVATIVE KANEKO NOBORU (JP) 1994-10-12 EP disclosed
US-5304558-A Diphenylmethyl piperazine derivatives KIRIN BREWERY CO., LTD. (JP) 1994-04-19 US disclosed
EP-0541802-A1 DIPHENYLMETHYLPIPERAZINE DERIVATIVE KANEKO, Noboru (JP) 1993-05-19 EP disclosed